In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 12 | Yes |
Popular Name: Ethyl phenylacetate Ethyl phenylacetate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 101-97-3 , 5452-75-5 , [103-45-7]
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.36 | 6.83 | -6.24 | 0 | 2 | 0 | 26 | 164.204 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Molecular_Solubility | 2.354 | Bitter DB |
Mp [°C] | 29 | Acros Organics |
Melting_Point | 29? | Alfa-Aesar |
Melting_Point | 29° | Alfa-Aesar |
BP [°C] | 211 - 212 | Acros Organics |
Boiling_Point | 223-225? | Alfa-Aesar |
Boiling_Point | 223-225° | Alfa-Aesar |
BP [°C] | 226 | Acros Organics |
Purity | 95% | Fluorochem |
H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing | Acros Organics |
R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.